3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid

C14H18N2O3 — CID 66523901

IUPAC3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid
SMILESCC(C)C1NC(=O)N(Cc2ccccc2)C1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9(2)11-12(13(17)18)16(14(19)15-11)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyZYUUYNOPKUHDJB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.69
Rot. Bonds4

About 3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid

3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid (PubChem CID 66523901) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid
PubChem CID66523901
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid
SMILESCC(C)C1NC(=O)N(Cc2ccccc2)C1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9(2)11-12(13(17)18)16(14(19)15-11)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyZYUUYNOPKUHDJB-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 20778181
(3aR,6aR)-4-benzyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 99646895
1,3-dibenzyl-5-(1,3-dibenzyl-5-carboxy-2-oxoimidazolidine-4-carbonyl)oxycarbonyl-2-oxoimidazolidine-4-carboxylic acid
CID 87775753
(4R,5R)-3-benzyl-5-methoxy-2-oxo-1-(1-phenylpropan-2-yloxycarbonyl)imidazolidine-4-carboxylic acid
CID 150430479
[(4S,5R,6R)-1,6-dibenzyl-4-[(1S)-1-bromo-2-phenylethyl]-2-oxo-1,3-diazinan-5-yl] acetate
CID 10815845
(4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one
CID 24787335
(4S,5R)-1-benzyl-5-methyl-4-phenylimidazolidin-2-one
CID 131844665
(2S,3S)-1-benzyl-6-oxo-2-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 40800623
5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one
CID 73324809
2-[(2R,3S)-1-benzyl-5-oxo-3-propan-2-ylpyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide
CID 134349725
(4S,5R)-3-benzyl-2-oxo-4-propan-2-yl-4,5-dihydro-1H-3-benzazepine-5-carboxylic acid
CID 132992446
(4S,5R)-1,3-dibenzyl-5-[methyl(2-phenylethyl)carbamoyl]-2-oxoimidazolidine-4-carboxylic acid
CID 70552988

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid?
The IUPAC name of 3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid (CID 66523901) is 3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid.
What is the SMILES notation for 3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid?
The canonical SMILES for 3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid is CC(C)C1NC(=O)N(Cc2ccccc2)C1C(=O)O.
What is the InChIKey of 3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid?
The InChIKey is ZYUUYNOPKUHDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)11-12(13(17)18)16(14(19)15-11)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid?
3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid is sourced from PubChem (CID 66523901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).